⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5153 | 0.79 | — | — | |
| SCHEMBL1582287 | 0.78 | ADRB2 (0.33) | — | |
| SCHEMBL4344426 | 0.76 | — | — | |
| SCHEMBL6689623 | 0.73 | ADRB2 (0.31) | — | |
| SCHEMBL14690807 | 0.72 | — | — | |
| SCHEMBL19387696 | 0.71 | — | — | |
| SCHEMBL19387693 | 0.71 | — | — | |
| SCHEMBL195184 | 0.71 | — | — | |
| SCHEMBL3317704 | 0.71 | — | — | |
| SCHEMBL4753 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1104412-A | Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients | OTSUKA PHARMA CO LTD (JP) | 1995-06-28 | — | — | CN | disclosed |